[QE-users] Query about high symmetry path.

[Poonam Kaushik]

Dear Sir,
This is true but how do I know like gamma point is at 000 but
rest coordinate how to find that is the question.

Thanks and regards,
Poonam Sharma




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Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.



On Wed, May 19, 2021 at 7:14 PM Poonam Kaushik <poonamkaushik40 at gmail.com>
wrote:

> Dear all,
> I have one query about the high symmetry path for plotting the band
> structure. From the CIF file, I can calculate the high symmetry path of any
> material, but in previous research papers if saw the high symmetry path it
> is different from my one. So for the matching purpose that my band
> structure is also correct, how can I obtained the same path as mentioned in
> the literature.
> Also, I observed on ' Material Cloud'  the band structure of the same
> material as I want, I downloaded the CIF file from there but the high
> symmetry path is coming different as they mention (on the Material Cloud).
> I'll be very thankful if someone suggests me something about this.
>
> Thanks and regards,
> Poonam Sharma
>
>
>
>
>
> -------------------------------------------------------------------------------------------------
> Poonam Sharma
> Research Scholar
> Department of Physics
> Indian Institute of Technology Bombay
> Mumbai - 400076
> India.
>
>
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